| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004221
BDB004221
|
BDBM96994
Cc1nn(C2CCC(=O)NC2=O)c2ccc(N3CCN(CC4CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C4)CC3)cc12
|
C47H52N6O4 764.971000 |
BEBXTZTZHAHQSO-OJXSZKPQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM96994; PubChem:CID170728350
|
Local ready
Direct docking supported
|
|
E3L004222
BDB004222
|
BDBM96995
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CC3(CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
JPEBSIKGHPZPGX-QDPYUFFZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96995
|
Local ready
Direct docking supported
|
|
E3L004223
BDB004223
|
BDBM96996
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
JGUADLWFBMOXGP-DBIRBHGLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96996
|
Local ready
Direct docking supported
|
|
E3L004224
BDB004224
|
BDBM96997
O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CC5(CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1
|
C48H51N5O6 793.965000 |
JGUADLWFBMOXGP-UIMDZVHESA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM96997
|
Local ready
Direct docking supported
|
|
E3L004225
BDB004225
|
BDBM96998
O=C1CCC(Nc2ccc(N3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5F)CC4)CC3)c(F)c2)C(=O)N1
|
C42H45F2N5O4 721.849000 |
XONHEANMPMHLIL-CLFJDZNDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM96998; PubChem:CID177910026
|
Local ready
Direct docking supported
|
|
E3L004226
BDB004226
|
BDBM96999
O=C1CCC(Nc2ccc(N3CCN(CC4CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC4)CC3)c(F)c2)C(=O)N1
|
C42H46FN5O4 703.859000 |
JSPQHEGDRJAZKU-CXTGPZRRSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM96999; PubChem:CID170728643
|
Local ready
Direct docking supported
|
|
E3L004227
BDB004227
|
BDBM97000
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H47N5O7 793.921000 |
YDMQYRRRRMPTJD-PQGYCHLWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97000
|
Local ready
Direct docking supported
|
|
E3L004228
BDB004228
|
BDBM97001
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CC3(CCN(c5ccc([C@@H]6c7ccc(O)cc7OC[C@@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
ZMDNGTWULHGEKN-QDPYUFFZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97001
|
Local ready
Direct docking supported
|
|
E3L004229
BDB004229
|
BDBM97002
COc1cccc([C@H]2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)c1
|
C46H49N5O7 783.926000 |
OTLGVHCCZYBXFT-CCOAXIEXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97002
|
Local ready
Direct docking supported
|
|
E3L004230
BDB004230
|
BDBM97003
COc1cccc([C@@H]2COc3cc(O)ccc3[C@@H]2c2ccc(N3CCC(CN4CCN5c6ccc7c(c6OC[C@H]5C4)CN(C4CCC(=O)NC4=O)C7=O)CC3)cc2)c1
|
C46H49N5O7 783.926000 |
OTLGVHCCZYBXFT-AONKCEDPSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97003
|
Local ready
Direct docking supported
|
|
E3L004231
BDB004231
|
BDBM97004
O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCN(c6ncc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cn6)CC5)CCN43)C2=O)C(=O)N1
|
C43H45N7O6 755.876000 |
RPFWZHFAZYZAOK-RHVWPSGQSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97004
|
Local ready
Direct docking supported
|
|
E3L004232
BDB004232
|
BDBM97006
O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCN(c6ncc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cn6)CC5)CCN43)C2=O)C(=O)N1
|
C43H45N7O6 755.876000 |
RPFWZHFAZYZAOK-MUYMVOOUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97006
|
Local ready
Direct docking supported
|
|
E3L004233
BDB004233
|
BDBM97007
O=C1CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CN(CC5CC6(CCN(c7ccc([C@@H]8c9ccc(O)cc9OC[C@@H]8c8ccccc8)cc7)CC6)C5)CCN43)C2=O)C(=O)N1
|
C48H51N5O6 793.965000 |
SSNYEZAYMZGQKT-YFRYQBHSSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97007
|
Local ready
Direct docking supported
|
|
E3L004234
BDB004234
|
BDBM97008
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
BXVMSRJPFSOBKE-VIKHGVINSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97008
|
Local ready
Direct docking supported
|
|
E3L004235
BDB004235
|
BDBM97009
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CC3(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cc5)CC3)C2)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
JPEBSIKGHPZPGX-VIKHGVINSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97009
|
Local ready
Direct docking supported
|
|
E3L004236
BDB004236
|
BDBM97010
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H47N5O7 793.921000 |
YDMQYRRRRMPTJD-DHFQGNFWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97010
|
Local ready
Direct docking supported
|
|
E3L004237
BDB004237
|
BDBM97011
O=C1CC[C@@H](N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H49N5O6 779.938000 |
WFNJFSDLQSHAAO-HDNAJYLWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97011
|
Local ready
Direct docking supported
|
|
E3L004238
BDB004238
|
BDBM97012
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H49N5O6 779.938000 |
WFNJFSDLQSHAAO-LVWREAIBSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97012
|
Local ready
Direct docking supported
|
|
E3L004239
BDB004239
|
BDBM97013
O=C1CCC(N2Cc3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@H]5c6ccc(O)cc6OC[C@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
|
C47H49N5O6 779.938000 |
WFNJFSDLQSHAAO-QFXYJWSKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97013
|
Local ready
Direct docking supported
|
|
E3L004240
BDB004240
|
BDBM97014
O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
|
C45H43N5O7 765.867000 |
BXVMSRJPFSOBKE-QDPYUFFZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM97014
|
Local ready
Direct docking supported
|